N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide

C12H15F3N2O3S — CID 103857516

IUPACN-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N(CCO)CC(F)(F)F)c1ccsc1
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)8-17(4-5-18)10(19)1-3-16-11(20)9-2-6-21-7-9/h2,6-7,18H,1,3-5,8H2,(H,16,20)
InChIKeyFNZWWUJRFWMCEG-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.25
Rot. Bonds7

About N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 103857516) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID103857516
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N(CCO)CC(F)(F)F)c1ccsc1
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)8-17(4-5-18)10(19)1-3-16-11(20)9-2-6-21-7-9/h2,6-7,18H,1,3-5,8H2,(H,16,20)
InChIKeyFNZWWUJRFWMCEG-UHFFFAOYSA-N
XLogP1.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 103857516) is N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide is O=C(NCCC(=O)N(CCO)CC(F)(F)F)c1ccsc1.
What is the InChIKey of N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is FNZWWUJRFWMCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c13-12(14,15)8-17(4-5-18)10(19)1-3-16-11(20)9-2-6-21-7-9/h2,6-7,18H,1,3-5,8H2,(H,16,20).
What are the key properties of N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 324.32 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 103857516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).